4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)

C117H127F4N15OS8 — CID 157417706

About 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)

4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole) (PubChem CID 157417706) has the molecular formula C117H127F4N15OS8 and a molecular weight of 2091.93 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole).

Molecular Properties

• Compound Name: 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)
• PubChem CID: 157417706
• Molecular Formula: C117H127F4N15OS8
• Molecular Weight: 2091.93 g/mol
• Exact Mass: 2089.80
• IUPAC Name: 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)
• SMILES: COc1ccccc1-c1csc(N2CCCCC2)n1.Cc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1.Cc1cccc(-c2csc(N3CCCCC3)n2)c1.Fc1ccc(-c2csc(-c3ccccc3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1F.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1
• InChI: InChI=1S/C16H20N2S.C15H10FNS.C15H18N2OS.C15H18N2S.C14H14F2N2S.C14H15FN2S.2C14H16N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18;16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12;1-18-14-8-4-3-7-12(14)13-11-19-15(16-13)17-9-5-2-6-10-17;1-12-6-5-7-13(10-12)14-11-18-15(16-14)17-8-3-2-4-9-17;15-11-5-4-10(8-12(11)16)13-9-19-14(17-13)18-6-2-1-3-7-18;15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17;2*1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h6-7,10-11H,3-5,8-9H2,1-2H3;1-10H;3-4,7-8,11H,2,5-6,9-10H2,1H3;5-7,10-11H,2-4,8-9H2,1H3;4-5,8-9H,1-3,6-7H2;4-7,10H,1-3,8-9H2;2*1,3-4,7-8,11H,2,5-6,9-10H2
• InChIKey: BPAVMFFWCXICCW-UHFFFAOYSA-N
• XLogP: 32.57
• TPSA: 135.03 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2091.93
LogP ≤ 5	32.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)?

The IUPAC name of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole) (CID 157417706) is 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole).

What is the SMILES notation for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)?

The canonical SMILES for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole) is COc1ccccc1-c1csc(N2CCCCC2)n1.Cc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1.Cc1cccc(-c2csc(N3CCCCC3)n2)c1.Fc1ccc(-c2csc(-c3ccccc3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1.Fc1ccc(-c2csc(N3CCCCC3)n2)cc1F.c1ccc(-c2csc(N3CCCCC3)n2)cc1.c1ccc(-c2csc(N3CCCCC3)n2)cc1.

What is the InChIKey of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)?

The InChIKey is BPAVMFFWCXICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S.C15H10FNS.C15H18N2OS.C15H18N2S.C14H14F2N2S.C14H15FN2S.2C14H16N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18;16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12;1-18-14-8-4-3-7-12(14)13-11-19-15(16-13)17-9-5-2-6-10-17;1-12-6-5-7-13(10-12)14-11-18-15(16-14)17-8-3-2-4-9-17;15-11-5-4-10(8-12(11)16)13-9-19-14(17-13)18-6-2-1-3-7-18;15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17;2*1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h6-7,10-11H,3-5,8-9H2,1-2H3;1-10H;3-4,7-8,11H,2,5-6,9-10H2,1H3;5-7,10-11H,2-4,8-9H2,1H3;4-5,8-9H,1-3,6-7H2;4-7,10H,1-3,8-9H2;2*1,3-4,7-8,11H,2,5-6,9-10H2.

What are the key properties of 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)?

4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole) has a molecular weight of 2091.93 g/mol, XLogP of 32.57, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole) is sourced from PubChem (CID 157417706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).